==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA-BINDING REGULATORY PROTEIN 13-FEB-96 1DBQ . COMPND 2 MOLECULE: PURINE REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.A.SCHUMACHER,K.Y.CHOI,F.LU,H.ZALKIN,R.G.BRENNAN . 552 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 405 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 56 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 2 0 1 4 4 3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 3 6 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 60 A K 0 0 118 0, 0.0 31,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 128.9 18.4 -8.7 34.6 2 61 A S E -a 32 0A 0 29,-0.2 56,-1.6 54,-0.2 57,-0.8 -0.937 360.0-163.3-117.4 134.3 15.4 -9.2 37.0 3 62 A I E -ab 33 59A 0 29,-2.7 31,-3.8 -2,-0.4 2,-0.3 -0.963 7.6-145.8-124.4 137.6 15.5 -11.6 39.9 4 63 A G E -ab 34 60A 0 55,-2.6 57,-2.7 -2,-0.4 2,-0.4 -0.804 9.5-166.2-105.0 145.5 12.6 -12.9 41.8 5 64 A L E -ab 35 61A 0 29,-2.8 31,-2.2 -2,-0.3 2,-0.5 -0.919 3.9-172.3-135.8 110.1 12.4 -13.7 45.5 6 65 A L E +ab 36 62A 0 55,-2.7 57,-1.8 -2,-0.4 2,-0.3 -0.878 19.7 160.4-102.4 132.7 9.7 -15.7 47.1 7 66 A A E -ab 37 63A 0 29,-1.8 31,-1.6 -2,-0.5 32,-0.5 -0.984 48.4-130.3-148.0 151.0 9.9 -15.8 50.9 8 67 A T S S- 0 0 19 55,-0.9 31,-0.6 -2,-0.3 2,-0.3 0.974 100.5 -4.4 -61.6 -54.7 7.5 -16.5 53.8 9 68 A S > - 0 0 15 29,-0.1 3,-1.1 28,-0.1 -1,-0.3 -0.950 49.3-163.1-149.5 123.3 8.5 -13.2 55.4 10 69 A S T 3 S+ 0 0 4 -2,-0.3 9,-0.2 1,-0.3 10,-0.1 0.744 99.4 51.8 -70.4 -28.5 11.2 -10.6 54.4 11 70 A E T 3 S+ 0 0 82 4,-0.1 2,-0.3 8,-0.1 -1,-0.3 0.090 80.1 120.7 -98.5 19.5 11.0 -9.2 57.9 12 71 A A S <> S- 0 0 33 -3,-1.1 4,-3.9 1,-0.1 5,-0.2 -0.693 72.1-117.2 -89.0 139.9 11.5 -12.4 59.9 13 72 A A H > S+ 0 0 46 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.883 110.1 38.3 -39.0 -63.5 14.5 -12.5 62.2 14 73 A Y H 4 S+ 0 0 46 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.903 122.6 40.5 -56.5 -53.9 16.4 -15.3 60.5 15 74 A F H >> S+ 0 0 16 -6,-0.2 4,-2.4 1,-0.2 3,-2.2 0.892 98.1 77.5 -65.4 -43.0 15.6 -14.4 56.9 16 75 A A H 3X S+ 0 0 20 -4,-3.9 4,-1.9 1,-0.3 5,-0.2 0.811 98.5 42.2 -32.1 -61.7 16.0 -10.6 57.4 17 76 A E H 3X S+ 0 0 40 -4,-0.9 4,-0.7 1,-0.2 -1,-0.3 0.711 116.3 51.8 -62.9 -24.5 19.8 -10.6 57.4 18 77 A I H <> S+ 0 0 0 -3,-2.2 4,-1.8 -4,-0.4 -2,-0.2 0.899 107.5 50.0 -80.6 -43.8 19.7 -13.1 54.4 19 78 A I H X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.873 108.2 53.8 -63.5 -39.9 17.4 -11.1 52.2 20 79 A E H X S+ 0 0 84 -4,-1.9 4,-2.8 -5,-0.3 -1,-0.2 0.867 105.3 52.8 -67.3 -32.1 19.5 -8.0 52.7 21 80 A A H X S+ 0 0 0 -4,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.949 111.3 47.8 -67.6 -40.7 22.6 -9.8 51.5 22 81 A V H >X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 3,-1.1 0.986 112.2 48.2 -56.4 -61.7 20.7 -10.9 48.4 23 82 A E H 3X S+ 0 0 9 -4,-2.9 4,-2.0 1,-0.3 5,-0.3 0.886 111.2 52.7 -42.6 -51.4 19.4 -7.3 47.8 24 83 A K H 3X S+ 0 0 68 -4,-2.8 4,-1.0 1,-0.3 -1,-0.3 0.836 109.9 46.6 -60.6 -33.4 23.0 -6.0 48.3 25 84 A N H X>S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-1.7 0.995 108.2 44.1 -59.2 -67.7 21.6 -7.5 43.3 27 86 A F H 3<5S+ 0 0 18 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.823 107.2 63.4 -48.2 -33.8 22.0 -3.8 43.2 28 87 A Q H 3<5S+ 0 0 129 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.889 110.9 36.1 -61.1 -38.1 25.8 -4.4 43.0 29 88 A K H <<5S- 0 0 116 -3,-1.7 -1,-0.2 -4,-1.2 -2,-0.2 0.689 119.6-108.9 -87.1 -21.7 25.4 -6.2 39.6 30 89 A G T <5 + 0 0 29 -4,-2.1 -3,-0.2 1,-0.3 -4,-0.1 0.478 68.1 148.7 106.7 4.8 22.6 -3.9 38.5 31 90 A Y < - 0 0 33 -5,-1.7 2,-0.3 -6,-0.2 -1,-0.3 -0.321 43.1-130.4 -73.8 156.4 19.9 -6.5 38.8 32 91 A T E -a 2 0A 4 -31,-2.5 -29,-2.7 282,-0.1 2,-0.5 -0.745 19.2-136.9-102.5 148.9 16.3 -5.6 39.8 33 92 A L E -aC 3 313A 0 280,-1.8 280,-2.3 -2,-0.3 2,-0.9 -0.925 8.1-159.2-117.9 129.1 14.6 -7.5 42.5 34 93 A I E -aC 4 312A 0 -31,-3.8 -29,-2.8 -2,-0.5 2,-0.4 -0.812 22.1-162.5-107.0 96.1 11.0 -8.8 42.4 35 94 A L E +aC 5 311A 0 276,-2.2 276,-2.1 -2,-0.9 2,-0.4 -0.635 16.6 167.6 -86.5 130.0 10.0 -9.3 46.0 36 95 A G E -a 6 0A 0 -31,-2.2 -29,-1.8 -2,-0.4 2,-0.6 -0.992 18.7-161.3-143.3 133.1 7.0 -11.4 47.2 37 96 A N E +a 7 0A 1 -2,-0.4 -29,-0.2 272,-0.3 -28,-0.1 -0.971 14.5 172.5-117.7 114.3 6.0 -12.6 50.7 38 97 A A > - 0 0 2 -31,-1.6 3,-1.0 -2,-0.6 -30,-0.2 0.668 18.4-158.4 -93.2 -29.0 3.6 -15.5 50.5 39 98 A W T 3 - 0 0 123 -31,-0.6 -31,-0.1 -32,-0.5 3,-0.1 0.455 65.8 -52.6 62.7 1.0 3.3 -16.7 54.1 40 99 A N T 3 S+ 0 0 66 1,-0.3 2,-0.9 2,-0.0 -1,-0.2 0.565 89.8 133.4 108.6 16.0 1.9 -20.3 53.4 41 100 A N <> - 0 0 73 -3,-1.0 4,-2.7 1,-0.2 5,-0.5 -0.893 44.6-155.0-103.0 109.8 -1.0 -19.9 51.1 42 101 A L H > S+ 0 0 37 -2,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.867 97.5 48.6 -43.0 -45.8 -0.6 -22.4 48.4 43 102 A E H > S+ 0 0 98 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.920 110.5 46.5 -63.9 -51.2 -2.8 -20.1 46.3 44 103 A K H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.882 117.4 43.2 -63.2 -39.5 -1.0 -16.8 47.1 45 104 A Q H X S+ 0 0 4 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.849 110.9 56.5 -72.5 -34.1 2.5 -18.4 46.4 46 105 A R H X S+ 0 0 109 -4,-1.9 4,-1.2 -5,-0.5 -1,-0.2 0.720 108.9 48.7 -67.7 -19.7 0.9 -20.0 43.4 47 106 A A H X S+ 0 0 48 -4,-0.9 4,-1.8 2,-0.2 -2,-0.2 0.835 108.4 49.8 -87.5 -40.5 -0.0 -16.4 42.4 48 107 A Y H X S+ 0 0 11 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.868 110.4 55.3 -67.3 -29.1 3.4 -14.9 42.9 49 108 A L H X S+ 0 0 4 -4,-2.1 4,-1.7 2,-0.2 5,-0.2 0.967 106.0 46.3 -66.3 -52.9 4.7 -17.8 40.8 50 109 A S H X S+ 0 0 40 -4,-1.2 4,-2.8 1,-0.2 -1,-0.2 0.861 113.7 50.6 -56.7 -40.6 2.6 -17.3 37.8 51 110 A M H X S+ 0 0 19 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.818 107.7 51.1 -70.3 -34.1 3.3 -13.6 37.8 52 111 A M H <>S+ 0 0 1 -4,-1.7 5,-2.4 2,-0.2 -1,-0.2 0.850 112.6 46.3 -72.0 -29.9 7.0 -14.0 38.1 53 112 A A H ><5S+ 0 0 24 -4,-1.7 3,-1.7 3,-0.2 -2,-0.2 0.914 112.5 53.0 -72.3 -45.0 6.9 -16.4 35.2 54 113 A Q H 3<5S+ 0 0 152 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.815 108.9 47.8 -60.2 -31.4 4.7 -13.8 33.5 55 114 A K T 3<5S- 0 0 36 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.353 110.4-127.7 -91.5 5.7 7.3 -11.1 34.2 56 115 A R T < 5 - 0 0 187 -3,-1.7 -54,-0.2 -5,-0.1 -3,-0.2 0.888 30.4-165.6 53.8 45.6 9.8 -13.3 32.8 57 116 A V < - 0 0 10 -5,-2.4 -54,-0.2 1,-0.2 -1,-0.1 -0.352 21.4-134.9 -61.7 143.1 12.3 -13.1 35.7 58 117 A D S S+ 0 0 54 -56,-1.6 2,-0.3 1,-0.2 -55,-0.2 0.718 80.9 0.4 -69.2 -24.8 15.7 -14.5 34.7 59 118 A G E -b 3 0A 0 -57,-0.8 -55,-2.6 22,-0.1 2,-0.4 -0.990 63.7-132.9-163.8 159.9 15.9 -16.4 37.9 60 119 A L E -bd 4 83A 5 22,-3.0 24,-2.0 -2,-0.3 2,-0.5 -0.974 4.1-163.8-128.9 134.2 14.2 -17.3 41.2 61 120 A L E -bd 5 84A 0 -57,-2.7 -55,-2.7 -2,-0.4 2,-0.4 -0.942 16.5-172.8-111.1 125.8 15.3 -17.5 44.8 62 121 A V E +bd 6 85A 0 22,-3.2 24,-3.1 -2,-0.5 2,-0.4 -0.985 15.0 163.9-123.9 129.4 13.0 -19.5 47.1 63 122 A M E +bd 7 86A 0 -57,-1.8 -55,-0.9 -2,-0.4 24,-0.1 -0.930 10.1 156.0-141.3 112.5 13.3 -19.7 50.9 64 123 A C - 0 0 0 22,-0.8 2,-2.7 -2,-0.4 23,-0.1 0.366 44.3-133.2-131.0 15.0 10.2 -21.0 52.8 65 124 A S S S+ 0 0 68 21,-0.2 2,-0.3 2,-0.1 22,-0.0 0.161 96.1 31.9 62.4 -33.6 10.6 -22.6 56.3 66 125 A E - 0 0 97 -2,-2.7 23,-0.0 2,-0.1 -3,-0.0 -0.953 62.4-167.6-155.8 137.0 8.3 -25.4 55.0 67 126 A Y - 0 0 25 -2,-0.3 2,-0.1 4,-0.0 -2,-0.1 -0.825 14.9-164.9-129.3 88.6 7.8 -26.9 51.6 68 127 A P >> - 0 0 56 0, 0.0 3,-2.6 0, 0.0 4,-1.9 -0.467 38.3-101.2 -74.7 152.4 4.7 -29.2 51.5 69 128 A E H 3> S+ 0 0 133 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.800 122.8 56.8 -37.7 -44.6 4.4 -31.5 48.6 70 129 A P H 3> S+ 0 0 71 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.837 106.6 47.8 -66.5 -27.4 2.0 -29.3 47.0 71 130 A L H <> S+ 0 0 1 -3,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.920 112.6 50.0 -73.3 -45.2 4.4 -26.3 47.0 72 131 A L H X S+ 0 0 11 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.878 108.1 53.4 -58.9 -42.5 7.1 -28.5 45.6 73 132 A A H X S+ 0 0 51 -4,-2.7 4,-1.1 -5,-0.2 3,-0.3 0.971 109.7 46.7 -61.8 -53.4 4.8 -29.8 42.9 74 133 A M H >X S+ 0 0 15 -4,-1.9 4,-1.0 1,-0.3 3,-0.9 0.909 109.4 54.9 -58.0 -38.2 3.9 -26.3 41.7 75 134 A L H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.3 -1,-0.3 0.891 100.6 61.7 -60.6 -37.0 7.6 -25.4 41.8 76 135 A E H >< S+ 0 0 111 -4,-2.0 3,-1.0 -3,-0.3 -1,-0.3 0.799 96.3 58.1 -60.4 -26.7 8.2 -28.4 39.5 77 136 A E H << S+ 0 0 146 -4,-1.1 3,-0.3 -3,-0.9 -1,-0.3 0.902 105.1 51.8 -68.7 -34.3 6.1 -26.8 36.8 78 137 A Y T X< + 0 0 55 -4,-1.0 3,-2.2 -3,-0.8 -1,-0.2 0.128 69.5 118.5 -88.2 20.5 8.4 -23.8 36.8 79 138 A R T < + 0 0 76 -3,-1.0 -1,-0.2 1,-0.3 4,-0.1 0.466 57.4 76.2 -67.8 -1.1 11.6 -25.5 36.4 80 139 A H T 3 S+ 0 0 140 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.668 87.6 75.4 -79.7 -15.9 12.3 -23.9 33.0 81 140 A I S < S- 0 0 11 -3,-2.2 -22,-0.1 -22,-0.0 -23,-0.1 -0.859 98.0-113.5 -99.6 121.5 13.2 -20.9 35.2 82 141 A P + 0 0 39 0, 0.0 -22,-3.0 0, 0.0 2,-0.3 -0.270 48.2 175.1 -54.4 127.3 16.5 -21.2 37.0 83 142 A M E -d 60 0A 9 -24,-0.2 2,-0.4 -4,-0.1 -22,-0.2 -0.951 38.2-154.4-141.0 159.1 16.0 -21.4 40.7 84 143 A V E -d 61 0A 1 -24,-2.0 -22,-3.2 -2,-0.3 2,-0.6 -0.995 18.6-170.7-131.4 113.8 17.6 -21.9 44.2 85 144 A V E -d 62 0A 1 -2,-0.4 12,-2.7 10,-0.3 2,-0.4 -0.902 14.9-150.5-115.2 95.2 15.0 -23.4 46.6 86 145 A M E -de 63 97A 3 -24,-3.1 -22,-0.8 -2,-0.6 2,-0.5 -0.543 12.4-169.3 -73.4 125.5 16.7 -23.2 50.0 87 146 A D E - e 0 98A 17 10,-2.6 12,-3.6 -2,-0.4 2,-0.1 -0.948 11.1-171.9-123.1 115.4 15.6 -25.8 52.5 88 147 A W + 0 0 36 -2,-0.5 12,-0.1 10,-0.2 -24,-0.1 -0.403 61.4 62.0 -85.6 173.7 16.5 -25.7 56.1 89 148 A G S S- 0 0 43 10,-0.4 10,-0.3 -2,-0.1 3,-0.1 -0.228 101.3 -22.2 96.4 156.3 15.4 -28.9 57.5 90 149 A E S S- 0 0 140 1,-0.1 2,-0.1 8,-0.1 -2,-0.0 -0.258 72.7-108.4 -52.2 120.9 16.3 -32.6 56.9 91 150 A A - 0 0 87 2,-0.0 2,-0.2 7,-0.0 -1,-0.1 -0.348 41.5-169.8 -59.4 129.5 17.8 -33.2 53.5 92 151 A K - 0 0 130 4,-0.1 2,-1.2 -3,-0.1 -1,-0.0 -0.681 35.2-105.1-115.9 166.4 15.4 -35.1 51.2 93 152 A A S S+ 0 0 115 -2,-0.2 2,-0.2 2,-0.1 -2,-0.0 -0.656 85.8 96.6 -95.3 74.2 15.9 -36.7 47.9 94 153 A D S S- 0 0 42 -2,-1.2 -2,-0.0 2,-0.2 -22,-0.0 -0.650 93.8 -83.4-139.8-167.2 14.1 -33.9 45.8 95 154 A F S S+ 0 0 14 -2,-0.2 -10,-0.3 156,-0.1 158,-0.2 0.414 85.0 119.8 -89.9 2.5 15.5 -30.9 43.9 96 155 A T - 0 0 10 156,-0.1 2,-0.3 -12,-0.1 -2,-0.2 -0.343 64.9-123.3 -65.9 147.5 15.7 -28.5 47.0 97 156 A D E -e 86 0A 1 -12,-2.7 -10,-2.6 155,-0.2 2,-0.5 -0.689 31.5-123.5 -87.0 140.2 19.1 -27.1 48.0 98 157 A A E -ef 87 254A 12 155,-3.1 157,-4.1 -2,-0.3 2,-0.6 -0.700 18.3-156.3 -93.3 136.2 20.0 -27.9 51.5 99 158 A V E - 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